methyl 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[5-(3-amino-3-oxo-propyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-(3-amino-3-keto-propyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C)CCC(=O)N

InChI

InChI=1S/C20H23N5O3S/c1-4-25-17(10-9-16(21)26)23-24-20(25)29-11-15-18(19(27)28-3)12(2)13-7-5-6-8-14(13)22-15/h5-8H,4,9-11H2,1-3H3,(H2,21,26)